Mapping multiple potential ATP binding sites on the matrix side of the bovine ADP/ATP carrier by the combined use of MD simulation and docking

Journal of Molecular Modeling

Volumn 18, Issue 6, 2012, Pages 2377-2386

  Di Marino, Daniele ^a,b,c   Oteri, Francesco ^a   Morozzo Della Rocca, Blasco ^a   D'Annessa, Ilda ^a   Falconi, Mattia ^a,d  

^a UNIVERSITY OF ROME TOR VERGATA   (Italy)

^b UNIVERSITY OF LEUVEN   (Belgium)

^c Department for Developmental and Molecular Genetics ^*  (Belgium)

^d CIBB   (Italy)

Author keywords

ATP binding sites; ATP carrier interaction; Cluster analysis; Mitochondrial ADP ATP carrier; Molecular dynamics; Protein ligand docking

Indexed keywords

ADENOSINE DIPHOSPHATE; ADENOSINE DIPHOSPHATE ADENOSINE TRIPHOSPHATE CARRIER; ADENOSINE TRIPHOSPHATE; CARBOXYATRACTYLOSIDE; CARRIER PROTEIN; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CONFORMATION; CRYSTAL STRUCTURE; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN BINDING; SEQUENCE ALIGNMENT;

ADENOSINE TRIPHOSPHATE; AMINO ACID MOTIFS; ANIMALS; BINDING SITES; CATTLE; CLUSTER ANALYSIS; MITOCHONDRIAL ADP, ATP TRANSLOCASES; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; SURFACE PROPERTIES; THERMODYNAMICS;

BOVINAE;

EID: 84864704911     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1255-5     Document Type: Article

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